N-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-1-[4-methoxy-2-[[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]carbamoyl]phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide

C34H34F4N6O7S — CID 11513301

IUPACN-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-1-[4-methoxy-2-[[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]carbamoyl]phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCOc1ccc(-n2nc(C(F)(F)F)cc2C(=O)Nc2ccc(-c3ccccc3S(C)(=O)=O)cc2F)c(C(=O)NCC(=O)NCCN2CCOCC2)c1
InChIInChI=1S/C34H34F4N6O7S/c1-50-22-8-10-27(24(18-22)32(46)40-20-31(45)39-11-12-43-13-15-51-16-14-43)44-28(19-30(42-44)34(36,37)38)33(47)41-26-9-7-21(17-25(26)35)23-5-3-4-6-29(23)52(2,48)49/h3-10,17-19H,11-16,20H2,1-2H3,(H,39,45)(H,40,46)(H,41,47)
InChIKeyVEQAFJIVHYGDHW-UHFFFAOYSA-N
MW746.74 g/mol
LogP3.54
Rot. Bonds12

About N-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-1-[4-methoxy-2-[[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]carbamoyl]phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide

N-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-1-[4-methoxy-2-[[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]carbamoyl]phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide (PubChem CID 11513301) has the molecular formula C34H34F4N6O7S and a molecular weight of 746.74 g/mol. Its IUPAC name is N-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-1-[4-methoxy-2-[[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]carbamoyl]phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-1-[4-methoxy-2-[[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]carbamoyl]phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
PubChem CID11513301
Molecular FormulaC34H34F4N6O7S
Molecular Weight746.74 g/mol
Exact Mass746.21
IUPAC NameN-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-1-[4-methoxy-2-[[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]carbamoyl]phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCOc1ccc(-n2nc(C(F)(F)F)cc2C(=O)Nc2ccc(-c3ccccc3S(C)(=O)=O)cc2F)c(C(=O)NCC(=O)NCCN2CCOCC2)c1
InChIInChI=1S/C34H34F4N6O7S/c1-50-22-8-10-27(24(18-22)32(46)40-20-31(45)39-11-12-43-13-15-51-16-14-43)44-28(19-30(42-44)34(36,37)38)33(47)41-26-9-7-21(17-25(26)35)23-5-3-4-6-29(23)52(2,48)49/h3-10,17-19H,11-16,20H2,1-2H3,(H,39,45)(H,40,46)(H,41,47)
InChIKeyVEQAFJIVHYGDHW-UHFFFAOYSA-N
XLogP3.54
TPSA160.96 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds12
Heavy Atoms52
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500746.74
LogP ≤ 53.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze N-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-1-[4-methoxy-2-[[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]carbamoyl]phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-1-[4-methoxy-2-[[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]carbamoyl]phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide?
The IUPAC name of N-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-1-[4-methoxy-2-[[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]carbamoyl]phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide (CID 11513301) is N-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-1-[4-methoxy-2-[[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]carbamoyl]phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide.
What is the SMILES notation for N-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-1-[4-methoxy-2-[[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]carbamoyl]phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide?
The canonical SMILES for N-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-1-[4-methoxy-2-[[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]carbamoyl]phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide is COc1ccc(-n2nc(C(F)(F)F)cc2C(=O)Nc2ccc(-c3ccccc3S(C)(=O)=O)cc2F)c(C(=O)NCC(=O)NCCN2CCOCC2)c1.
What is the InChIKey of N-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-1-[4-methoxy-2-[[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]carbamoyl]phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide?
The InChIKey is VEQAFJIVHYGDHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H34F4N6O7S/c1-50-22-8-10-27(24(18-22)32(46)40-20-31(45)39-11-12-43-13-15-51-16-14-43)44-28(19-30(42-44)34(36,37)38)33(47)41-26-9-7-21(17-25(26)35)23-5-3-4-6-29(23)52(2,48)49/h3-10,17-19H,11-16,20H2,1-2H3,(H,39,45)(H,40,46)(H,41,47).
What are the key properties of N-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-1-[4-methoxy-2-[[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]carbamoyl]phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide?
N-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-1-[4-methoxy-2-[[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]carbamoyl]phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide has a molecular weight of 746.74 g/mol, XLogP of 3.54, 12 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-1-[4-methoxy-2-[[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]carbamoyl]phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 11513301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).